CID 47002644

2-chloro-n-{3-[(pyridin-2-ylsulfanyl)methyl]phenyl}acetamide

Structural Information

Molecular Formula
C14H13ClN2OS
SMILES
C1=CC=NC(=C1)SCC2=CC(=CC=C2)NC(=O)CCl
InChI
InChI=1S/C14H13ClN2OS/c15-9-13(18)17-12-5-3-4-11(8-12)10-19-14-6-1-2-7-16-14/h1-8H,9-10H2,(H,17,18)
InChIKey
OYHVKCOATSONJM-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0437 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05098 162.4
[M+Na]+ 315.03292 170.1
[M-H]- 291.03642 167.6
[M+NH4]+ 310.07752 177.5
[M+K]+ 331.00686 163.7
[M+H-H2O]+ 275.04096 154.9
[M+HCOO]- 337.04190 176.2
[M+CH3COO]- 351.05755 199.4
[M+Na-2H]- 313.01837 165.8
[M]+ 292.04315 165.9
[M]- 292.04425 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.